CC(C)(CO)Cc1cccc(C2(c3cccc(CC(C)(C)CO)c3)SCCCS2)c1
名称: 230
SMILES: CC(C)(CO)Cc1cccc(C2(c3cccc(CC(C)(C)CO)c3)SCCCS2)c1

Molecular Processing

Molecular formula
C26H36O2S2
Molecular weight
444.71
Exact mass
444.2157
XLogP
5.88
TPSA
40.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
132.34

Supplementary Information

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